4-bromo-N-(2-butoxyethyl)butan-2-amine

C10H22BrNO — CID 83186631

IUPAC4-bromo-N-(2-butoxyethyl)butan-2-amine
SMILESCCCCOCCNC(C)CCBr
InChIInChI=1S/C10H22BrNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3
InChIKeyUDXKQAUPDAMULO-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.57
Rot. Bonds9

About 4-bromo-N-(2-butoxyethyl)butan-2-amine

4-bromo-N-(2-butoxyethyl)butan-2-amine (PubChem CID 83186631) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 4-bromo-N-(2-butoxyethyl)butan-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-butoxyethyl)butan-2-amine
PubChem CID83186631
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name4-bromo-N-(2-butoxyethyl)butan-2-amine
SMILESCCCCOCCNC(C)CCBr
InChIInChI=1S/C10H22BrNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3
InChIKeyUDXKQAUPDAMULO-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-4-chlorobutan-2-amine
CID 83186904
4-bromo-N-butylbutan-2-amine
CID 83187017
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-chloropentan-2-amine
CID 104567239
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-butoxyethyl)butan-2-amine?
The IUPAC name of 4-bromo-N-(2-butoxyethyl)butan-2-amine (CID 83186631) is 4-bromo-N-(2-butoxyethyl)butan-2-amine.
What is the SMILES notation for 4-bromo-N-(2-butoxyethyl)butan-2-amine?
The canonical SMILES for 4-bromo-N-(2-butoxyethyl)butan-2-amine is CCCCOCCNC(C)CCBr.
What is the InChIKey of 4-bromo-N-(2-butoxyethyl)butan-2-amine?
The InChIKey is UDXKQAUPDAMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-3-4-8-13-9-7-12-10(2)5-6-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-bromo-N-(2-butoxyethyl)butan-2-amine?
4-bromo-N-(2-butoxyethyl)butan-2-amine has a molecular weight of 252.20 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-butoxyethyl)butan-2-amine is sourced from PubChem (CID 83186631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).